N-[4-(2-chloroethyl)phenyl]pyridine-2-carboxamide

C14H13ClN2O — CID 113272163

IUPACN-[4-(2-chloroethyl)phenyl]pyridine-2-carboxamide
SMILESO=C(Nc1ccc(CCCl)cc1)c1ccccn1
InChIInChI=1S/C14H13ClN2O/c15-9-8-11-4-6-12(7-5-11)17-14(18)13-3-1-2-10-16-13/h1-7,10H,8-9H2,(H,17,18)
InChIKeyQSBSWBCBKVPHRL-UHFFFAOYSA-N
MW260.72 g/mol
LogP3.12
Rot. Bonds4

About N-[4-(2-chloroethyl)phenyl]pyridine-2-carboxamide

N-[4-(2-chloroethyl)phenyl]pyridine-2-carboxamide (PubChem CID 113272163) has the molecular formula C14H13ClN2O and a molecular weight of 260.72 g/mol. Its IUPAC name is N-[4-(2-chloroethyl)phenyl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[4-(2-chloroethyl)phenyl]pyridine-2-carboxamide
PubChem CID113272163
Molecular FormulaC14H13ClN2O
Molecular Weight260.72 g/mol
Exact Mass260.07
IUPAC NameN-[4-(2-chloroethyl)phenyl]pyridine-2-carboxamide
SMILESO=C(Nc1ccc(CCCl)cc1)c1ccccn1
InChIInChI=1S/C14H13ClN2O/c15-9-8-11-4-6-12(7-5-11)17-14(18)13-3-1-2-10-16-13/h1-7,10H,8-9H2,(H,17,18)
InChIKeyQSBSWBCBKVPHRL-UHFFFAOYSA-N
XLogP3.12
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.72
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

N-[4-(2-hydroxyethyl)phenyl]pyridine-2-carboxamide
CID 61223962
N-[4-(3-amino-3-oxopropyl)phenyl]pyridine-2-carboxamide
CID 175723689
N-[4-(ethylaminomethyl)phenyl]pyridine-2-carboxamide
CID 106910172
4-(pyridine-2-carbonylamino)benzoic acid
CID 16770258
N-[4-(2-chloroethyl)phenyl]-2-methoxypyridine-3-carboxamide
CID 114299271
N-[4-[2-[(2-hydroxy-2-phenylethyl)amino]ethyl]phenyl]pyridine-2-carboxamide;dihydrochloride
CID 18319731
N-(4-pyridin-2-ylphenyl)pyridine-2-carboxamide
CID 110461625
N-(4-benzoylphenyl)pyridine-2-carboxamide
CID 157248993
dichloromanganese;bis(N-(4-methylphenyl)pyridine-2-carboxamide)
CID 11455628
N-(4-methoxyphenyl)pyridine-2-carboxamide
CID 821516
N-[4-(3-hydroxyprop-1-ynyl)phenyl]pyridine-2-carboxamide
CID 60802763
N-[4-(2-chloroethyl)phenyl]-3-phenylpropanamide
CID 114299237

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-chloroethyl)phenyl]pyridine-2-carboxamide?
The IUPAC name of N-[4-(2-chloroethyl)phenyl]pyridine-2-carboxamide (CID 113272163) is N-[4-(2-chloroethyl)phenyl]pyridine-2-carboxamide.
What is the SMILES notation for N-[4-(2-chloroethyl)phenyl]pyridine-2-carboxamide?
The canonical SMILES for N-[4-(2-chloroethyl)phenyl]pyridine-2-carboxamide is O=C(Nc1ccc(CCCl)cc1)c1ccccn1.
What is the InChIKey of N-[4-(2-chloroethyl)phenyl]pyridine-2-carboxamide?
The InChIKey is QSBSWBCBKVPHRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClN2O/c15-9-8-11-4-6-12(7-5-11)17-14(18)13-3-1-2-10-16-13/h1-7,10H,8-9H2,(H,17,18).
What are the key properties of N-[4-(2-chloroethyl)phenyl]pyridine-2-carboxamide?
N-[4-(2-chloroethyl)phenyl]pyridine-2-carboxamide has a molecular weight of 260.72 g/mol, XLogP of 3.12, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-chloroethyl)phenyl]pyridine-2-carboxamide is sourced from PubChem (CID 113272163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).